Geometry & MOs

Info

ID:	384802
PubChem CID:	134977694
Reduced:	PC32H39 (1)
Stoich.:	AB32C39 (1)
Weight, g/mol:	356.00481
ΔH_f, kcal/mol:	65.09
Dipole, Da:	2.23
IP(EA), eV:	-8.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-bromophenyl)-(3-oxo-2-phenylcyclopropen-1-yl)methyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C1(C(C)(C)C)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4

DOS

IR

Vibrations